General Information of the Compound
| Compound ID |
CP0505967
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| Compound Name |
(2R,4R)-1-[(R)-2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propionyl]-4-benzyloxy-pyrrolidine-2-carboxylic acid
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| Structure |
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| Formula |
C35H41N3O6
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| Molecular Weight |
599.728
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| Canonical SMILES |
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1C[C@@H](C[C@@H]1C(O)=O)OCc1ccccc1
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| InChI |
InChI=1S/C35H41N3O6/c1-35(17-26-18-36-29-10-6-5-9-28(26)29,37-34(42)44-31-24-12-22-11-23(14-24)15-25(31)13-22)33(41)38-19-27(16-30(38)32(39)40)43-20-21-7-3-2-4-8-21/h2-10,18,22-25,27,30-31,36H,11-17,19-20H2,1H3,(H,37,42)(H,39,40)/t22?,23?,24?,25?,27-,30-,31?,35-/m1/s1
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| InChIKey |
GHHGZGMQAUFGKV-FQHGAJMASA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound